methane; 4-methylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: methane; 4-methylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-methylsulfanyl-4-sulfanyl-butanoic acid; methane CAS Name: 4-mercapto-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid; methane IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylsulfanyl-4-sulfanylbutanoic acid; methane Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-4-mercapto-4-(methylthio)butyric acid; methane Formula: C16H25NO3S3 MolecularWeight: 375.5696

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Descriptors Computed from Structure

Canonical SMILES:

C.CSC(CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS)S

Isomeric SMILES

C.CSC(CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS)S

InChI

InChI=1S/C15H21NO3S3.CH4/c1-22-13(21)8-12(15(18)19)16-14(17)11(9-20)7-10-5-3-2-4-6-10;/h2-6,11-13,20-21H,7-9H2,1H3,(H,16,17)(H,18,19);1H4